4-[(cyclohexylamino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(cyclohexylamino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(cyclohexylamino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3896-0034 |
| Compound Name: | 4-[(cyclohexylamino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 283.37 |
| Molecular Formula: | C17 H21 N3 O |
| Smiles: | CC1/C(=C/NC2CCCCC2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2299 |
| logD: | 3.2139 |
| logSw: | -3.3215 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.235 |
| InChI Key: | PVGFWWVMEOVCOQ-VBKFSLOCSA-N |